I think PHREEQC will do what you want. Here is an example where pure water is reacted with calcite (.01 mole) and CO2 to generate the initial conditions for a column, but only the first cell of the column has CO2 at the beginning of the ADVECTION step. Whenever you SAVE a solution or equilibrium_phases, it replaces any previous definitions for the numbers to which it is saved. ADVECTION automatically saves solutions, equilibirium_phases, exchangers, etc after each advective step. David SOLUTION 1 END EQUILIBRIUM_PHASES 1 Calcite 0.0 0.010 CO2(g) -2 10. END USE solution 1 USE equilibrium_phases 1 SAVE solution 1-10 SAVE equilibrium_phases 1 END EQUILIBRIUM_PHASES 2-10 Calcite 0.0 0.01 END SOLUTION 0 END ADVECTION -shifts 10 -cells 10 END David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225 "George Moncure" <hydro-geo@xxxxx To: "David L Parkhurst" <dlpark@xxxxxxxx> .com> cc: In-Reply-To: <001101c13875$d708ece0$1f8be30c@xxxxxxxxx> Subject: BUILDING A SURFACE COLUMN 09/08/01 08:52 AM Dr. Parkhurst, In the ADVECTI0N example 11, an equilibrium a defined solution was used for a defined exchange column. Instead, I wish to generate the column (Sufrace in this case) as well as the equilib solution in it during the first Simulation(s), rather than specifying them. THen I wish to let a different water "pass through it". I have done such discretely on a single 1 L volume (or cell) to my satisfaction. But because a column concept is more appropriate, as many as 100 or 200 cells may be needed. I decided that ADVECTION would be appropriate but do not know how to: (1) specify a Solution (say Solution 1) that reacts inside a cell(s) and generates solids and an equilibrium solution then specify re-identify that SOLUTION 1, REACTION 1, EQUILIBRIUM PHASES 1, SURFACE 1 are reassigning Solution, Phases, and Surface to the 50 column cells, such as Solution 1-50 - they already "own" the name "1" (2) or better yet, generate the column using the same Solution, Reaction, Phases, and Surface by chaining in one step such as: SOLUTION 0 groundwater SOLUTION 1-4 groundwater (defined) REACTION 1-4 FeSO4 dissolving into solution (reaction defined) EQUILIBRIUM PHASES 1-4 Fe(OH)3 and others (list of phases etc) SURFACE 1-4 Hfo (surfaces and characteristics) but this does not work as planned. (3) Since the column is an aquifer and chemicals to make the Surfaces are to be injected by well, there is a dynamic element that would be nice to consider in another model - reactions will occur closest to the well first, chromatographically. Obviously I am not clear how to shape my model concepts in terms of PHREEQC's functions. Do you have an example or suggestions? Thanks for you help, George Moncure
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